[(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol

C17H18O4 — CID 101241547

IUPAC[(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol
SMILESCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@H]2CO)cc1
InChIInChI=1S/C17H18O4/c1-19-12-5-3-11(4-6-12)17-15(10-18)14-9-13(20-2)7-8-16(14)21-17/h3-9,15,17-18H,10H2,1-2H3/t15-,17+/m1/s1
InChIKeyPCMKUHWDXWSEST-WBVHZDCISA-N
MW286.33 g/mol
LogP2.91
Rot. Bonds4

About [(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol

[(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol (PubChem CID 101241547) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is [(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol
PubChem CID101241547
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name[(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol
SMILESCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@H]2CO)cc1
InChIInChI=1S/C17H18O4/c1-19-12-5-3-11(4-6-12)17-15(10-18)14-9-13(20-2)7-8-16(14)21-17/h3-9,15,17-18H,10H2,1-2H3/t15-,17+/m1/s1
InChIKeyPCMKUHWDXWSEST-WBVHZDCISA-N
XLogP2.91
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol with MolForge

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Related Compounds

(2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 11482661
5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran
CID 132967211
4-[(2S,3R)-5-bromo-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
CID 162673565
4-[(2S,3R)-3-(hydroxymethyl)-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162896019
4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
CID 44715489
2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol
CID 154345810
4-[3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxybenzaldehyde
CID 89014648
(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951026
methyl (2S,3S)-5-methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxylate
CID 71714421
(4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951076
(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 5314855
[(4aR,9S,10S,10aS)-6-methoxy-10-(4-methoxyphenyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-9-yl]methanol
CID 59504470

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol?
The IUPAC name of [(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol (CID 101241547) is [(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol.
What is the SMILES notation for [(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol?
The canonical SMILES for [(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol is COc1ccc([C@@H]2Oc3ccc(OC)cc3[C@H]2CO)cc1.
What is the InChIKey of [(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol?
The InChIKey is PCMKUHWDXWSEST-WBVHZDCISA-N. The full InChI is InChI=1S/C17H18O4/c1-19-12-5-3-11(4-6-12)17-15(10-18)14-9-13(20-2)7-8-16(14)21-17/h3-9,15,17-18H,10H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of [(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol?
[(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol has a molecular weight of 286.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol is sourced from PubChem (CID 101241547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).